1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

C30H26FN7OS — CID 136935888

IUPAC1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C30H26FN7OS/c1-17(39)24-5-6-25(40-24)29-28-23(7-8-33-29)34-30(35-28)27-21-12-19(13-22(31)26(21)36-37-27)20-11-18(14-32-15-20)16-38-9-3-2-4-10-38/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,34,35)(H,36,37)
InChIKeyADMPHKVWGIVFHZ-UHFFFAOYSA-N
MW551.65 g/mol
LogP6.62
Rot. Bonds6

About 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 136935888) has the molecular formula C30H26FN7OS and a molecular weight of 551.65 g/mol. Its IUPAC name is 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID136935888
Molecular FormulaC30H26FN7OS
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC Name1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C30H26FN7OS/c1-17(39)24-5-6-25(40-24)29-28-23(7-8-33-29)34-30(35-28)27-21-12-19(13-22(31)26(21)36-37-27)20-11-18(14-32-15-20)16-38-9-3-2-4-10-38/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,34,35)(H,36,37)
InChIKeyADMPHKVWGIVFHZ-UHFFFAOYSA-N
XLogP6.62
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 136935888) is 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is ADMPHKVWGIVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7OS/c1-17(39)24-5-6-25(40-24)29-28-23(7-8-33-29)34-30(35-28)27-21-12-19(13-22(31)26(21)36-37-27)20-11-18(14-32-15-20)16-38-9-3-2-4-10-38/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,34,35)(H,36,37).
What are the key properties of 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 551.65 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136935888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).